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CAS 2389-48-2 N-Boc-L-lysine methyl ester hydrochloride molecular structure lightbox
CAS RN: 2389-48-2

N-Boc-L-lysine methyl ester hydrochloride

  • Product code: SSC-116750
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2389-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 4 In Stock Shanghai Inquiry
10g ≥98% 2 In Stock Beijing Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

2389-48-2 / [(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]azanium chloride

Standard CAS: 2389-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2389-48-2
Multi CAS
No
Molecular Formula
C12H25ClN2O4
Molecular Weight
296.790000
Exact Mass
296.150285
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC)[NH3+].[Cl-]
InChI
InChI=1S/C12H24N2O4.ClH/c1-12(2,3)18-11(16)14-8-6-5-7-9(13)10(15)17-4;/h9H,5-8,13H2,1-4H3,(H,14,16);1H/t9-;/m0./s1
InChIKey
NANRHOPPXCBHGI-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.78
TPSA
92.27

LogP / Solubility

WLOGP
-2.53
MLOGP
-2.22
XLogP3
-2.53
Consensus LogP
-2.43
Log S (ESOL)
0.31
Class (ESOL)
Highly soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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